4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate

C12H13N2O5- — CID 7027212

IUPAC4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
SMILESO=C([O-])CCC(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C12H14N2O5/c15-10(6-7-12(17)18)13-14-11(16)8-19-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,16)(H,17,18)/p-1
InChIKeyPCJCPGOIDPCYEG-UHFFFAOYSA-M
MW265.25 g/mol
LogP-1.26
Rot. Bonds6

About 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate

4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate (PubChem CID 7027212) has the molecular formula C12H13N2O5- and a molecular weight of 265.25 g/mol. Its IUPAC name is 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate.

Molecular Properties

Compound Name4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
PubChem CID7027212
Molecular FormulaC12H13N2O5-
Molecular Weight265.25 g/mol
Exact Mass265.08
IUPAC Name4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
SMILESO=C([O-])CCC(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C12H14N2O5/c15-10(6-7-12(17)18)13-14-11(16)8-19-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,16)(H,17,18)/p-1
InChIKeyPCJCPGOIDPCYEG-UHFFFAOYSA-M
XLogP-1.26
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-chloro-2-phenoxyacetohydrazide
CID 174818653
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
CID 67733128
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-oxo-3-phenoxypropanoic acid
CID 18994126
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide
CID 2255949
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate?
The IUPAC name of 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate (CID 7027212) is 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate.
What is the SMILES notation for 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate?
The canonical SMILES for 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate is O=C([O-])CCC(=O)NNC(=O)COc1ccccc1.
What is the InChIKey of 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate?
The InChIKey is PCJCPGOIDPCYEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2O5/c15-10(6-7-12(17)18)13-14-11(16)8-19-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,16)(H,17,18)/p-1.
What are the key properties of 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate?
4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate has a molecular weight of 265.25 g/mol, XLogP of -1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate is sourced from PubChem (CID 7027212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).